Chemical ID: 4452316

Cc1ccccc1N2C(=O)C(=Cc3ccc(cc3)C(=O)OC)SC2=S
Chemical ID:
4452316
Name [?]:
methyl 4-[[3-(o-tolyl)-4-oxo-2-thioxo-thiazolidin-5-ylidene]methyl]benzoate
SMILES [?]:
Cc1ccccc1N2C(=O)C(=Cc3ccc(cc3)C(=O)OC)SC2=S
InChi [?]:
InChI=1/C19H15NO3S2/c1-12-5-3-4-6-15(12)20-17(21)16(25-19(20)24)11-13-7-9-14(10-8-13)18(22)23-2/h3-11H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,22,4,5,3,6,14,18,15,17,12,2,13,16,7,11,9,19,24,8,10,20,21,25,23/E:(7,8)(9,10)/rA:25nCCCCCCCNCOCCCCCCCCCOOCSCS/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;w11;s12;s13;d14;s15;d16;d13s17;s16;d19;s19;s21;s11;s8s23;d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H15NO3S2
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:11.4337
Area:561.564
Solvation:-2.60537
Coulombic:-40.0567
Bond Count [?]
All:27
Single:17
Double:10
Rotors:4
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:369.459
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:3.55
LogP (Chemaxon):4.5

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Descriptor Annotations

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